4-(3,4-dimethylphenoxy)butan-2-amine

C12H19NO — CID 43118968

IUPAC4-(3,4-dimethylphenoxy)butan-2-amine
SMILESCc1ccc(OCCC(C)N)cc1C
InChIInChI=1S/C12H19NO/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h4-5,8,11H,6-7,13H2,1-3H3
InChIKeyJQTDOBDIWDORGU-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds4

About 4-(3,4-dimethylphenoxy)butan-2-amine

4-(3,4-dimethylphenoxy)butan-2-amine (PubChem CID 43118968) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)butan-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)butan-2-amine
PubChem CID43118968
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(3,4-dimethylphenoxy)butan-2-amine
SMILESCc1ccc(OCCC(C)N)cc1C
InChIInChI=1S/C12H19NO/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h4-5,8,11H,6-7,13H2,1-3H3
InChIKeyJQTDOBDIWDORGU-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1-[3-(3,4-dimethylphenoxy)propylsulfanyl]propan-2-amine
CID 66218981
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
(2S)-4-(3-tert-butylphenoxy)butan-2-amine
CID 39245152
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanide
CID 141016382
ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
CID 115002230

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)butan-2-amine?
The IUPAC name of 4-(3,4-dimethylphenoxy)butan-2-amine (CID 43118968) is 4-(3,4-dimethylphenoxy)butan-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)butan-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)butan-2-amine is Cc1ccc(OCCC(C)N)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)butan-2-amine?
The InChIKey is JQTDOBDIWDORGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-4-5-12(8-10(9)2)14-7-6-11(3)13/h4-5,8,11H,6-7,13H2,1-3H3.
What are the key properties of 4-(3,4-dimethylphenoxy)butan-2-amine?
4-(3,4-dimethylphenoxy)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)butan-2-amine is sourced from PubChem (CID 43118968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).